Supporting Data from: Physically Constrained Mass Spectrometry Data Binning for Multi-Platform Untargeted Metabolomics Data Integration

§ Supporting file 1 A spreadsheet recording numerous iterations for hyperparameter tuning for logistic regression model. § Supporting file 2 A spreadsheet recording numerous iterations for hyperparameter tuning for linear Support Vector Classifier model. § Supporting file 3 A spreadsheet recording numerous iterations for hyperparameter tuning for gradient boosting model. § Supporting file 4 A spreadsheet recording numerous iterations for hyperparameter tuning for eXtreme Gradient Boosting model. § Supporting file 5 A spreadsheet recording numerous iterations for hyperparameter tuning for decision tree model. § Supporting file 6 A spreadsheet recording numerous iterations for hyperparameter tuning for random forest model. § Supporting file 7 A spreadsheet recording binning performance before data integration (batch 1). § Supporting file 8 A spreadsheet recording binning performance before data integration (batch 2). § Supporting file 9 A spreadsheet recording binning performance after inter-batch data integration. § Supporting dataset 1 A zip collection of DESI-MSI raw data for the trainging dataset. § Supporting dataset 2 A zip collection of DESI-MSI raw data for the external dataset used for data ingestion. § Supporting dataset 3 A zip collection of MS raw data for the fine-needle aspiration smear DESI-MSI dataset. § Supporting dataset 4 A zip collection of MS raw data for the direction infusion dataset. § Supporting dataset 5 A zip collection of histograms of the m/z buckets before data integration (batch 1). § Supporting dataset 6 A zip collection of histograms of the m/z buckets before data integration (batch 2). § Supporting dataset 7 A zip collection of histograms of the m/z buckets after inter-batch data integration.